Logo of Phonon Mg_2SiO_4


J.Lazewski, P.T.Jochym, K.Parlinski and P.Piekarz,
Lattice dynamics of Mg_2SiO_4
J.Mol.Struc. 596, 3 (2001).

Crystal: Magnesium orthosilicate, Gamma spinel, Mg_2SiO_4
Software: Ab initio VASP ver. 4.3.3.
Space group: cubic, Fd-3m (Z=1)
Lattice constants: a=8.1385 angst.
Supercell: 1x1x1.
Pseudopotentials: ultrasoft of Vanderbilt.
k-points: 2x2x2. phase transition.

Phonon dispersion relations of magnesium orthosilicate Mg_2SiO_4:

Phonon Dispersion Curves of Mg_2SiO_4

Heat capacity of Mg_2SiO_4 at constant volume compared with experimental data [1].

Lower three curves are the contributions from Mg (diamonds), Si(circles) and O (triangles) sublattices:
Heat capacity of Mg_2SiO_4
[1] H.Watanabe, Thermodynamical properties of syntetic high pressure compounds relevant to the Earth's mantle. Eds. S.Akimoto and M.H.Manghanani, pp.441-464, Tokyo 1982.